Skip to content

Research at St Andrews

University > Research portal > Research publications > Silsesquioxane dendrimers as catalysts: A bite-sized molecul...

Silsesquioxane dendrimers as catalysts: A bite-sized molecular dynamics study

Research output: Contribution to journal › Article

DOI

Author(s)

Katherine J. Haxton, David J. Cole-Hamilton, Russell E. Morris

School/Research organisations

Abstract

A method of calculating the bite (P-M-P) angle for dendritic ligands is reported. Diphenylphosphine terminated dendritic ligands were modified with either a single rhodium or a rhodium complex [HRh(CO)(2)] and molecular dynamics techniques used to run simulations to determine the dynamic bite angle (beta(d)) as a time averaged property. The effects of changing the composition of the dendritic branches is investigated and comparison with experimental hydroformylation data reveals that the dendrimer with the highest linear: branched ratio also has a dynamic bite angle closest to the theoretical ideal value of 120 degrees.

Close
More...

Details

Original languageEnglish
Pages (from-to)3415-3420
Number of pages6
JournalDalton Transactions
Issue number31
DOIs
Publication statusPublished - 2007
Additional links

    Research areas

  • HOMOGENEOUS CATALYSIS, FUNCTIONALIZED DENDRIMERS, STERIC PROPERTIES, HYDROFORMYLATION, PHOSPHINE, LIGANDS, DIPHOSPHINES, SELECTIVITY, COMPLEXES, ANGLES

Discover related content
Find related publications, people, projects and more using interactive charts.

View graph of relations

Related by author

  1. Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS)

    Cheng, G., Slawin, A. M. Z., Vautravers, N. R., Andre, P., Morris, R. E., Samuel, I. D. W. & Cole-Hamilton, D., 2011, In : Organic & Biomolecular Chemistry. 9, 4, p. 1189-1200 12 p.

    Research output: Contribution to journal › Article

  2. COLL 423-Hybrid organic-inorganic photoluminescent POSS dentritic materials: Chromophore confinement

    Andre, P., Cheng, G., Ruseckas, A., Vautravers, N., van Mourik, T., Fruchtl, H., Crayston, J. A., Morris, R. E., Cole-Hamilton, D. & Samuel, I. D. W., 16 Aug 2009, In : Abstracts of Papers of the American Chemical Society. 238, p. - 1 p.

    Research output: Contribution to journal › Abstract

  3. Vapour-phase-transport rearrangement technique for the synthesis of new zeolites

    Kasneryk, V., Shamzhy, M., Zhou, J., Yue, Q., Mazur, M., Mayoral, A., Luo, Z., Morris, R. E., Čejka, J. & Opanasenko, M., 12 Nov 2019, In : Nature Communications. 10, 8 p., 5129.

    Research output: Contribution to journal › Article

  4. Fast room temperature lability of aluminosilicate zeolites

    Heard, C. J., Grajciar, L., Rice, C. M., Pugh, S. M., Nachtigall, P., Ashbrook, S. E. & Morris, R. E., 16 Oct 2019, In : Nature Communications. 10, 7 p., 4690.

    Research output: Contribution to journal › Article

  5. Synthesis and structural characterisation of the copper MOF: STAM-NMe2

    McHugh, L. N., Olivera Perez, L., Wheatley, P. S., Cordes, D. B., Slawin, A. M. Z. & Morris, R. E., 28 Sep 2019, In : CrystEngComm. 21, 36, p. 5387-5391

    Research output: Contribution to journal › Article

Related by journal

  1. Dalton Transactions (Journal)

    Finlay Morrison (Reviewer)
    2011 → …

    Activity: Publication peer-review and editorial work types › Peer review of manuscripts

Related by journal

  1. A hybrid fluoride layered perovskite, (enH2)MnF4

    Li, T., Clulow, R., Bradford, A., Lee, S. L., Slawin, A. M. Z. & Lightfoot, P., 21 Apr 2019, In : Dalton Transactions. 48, 15, p. 4784-4787 4 p.

    Research output: Contribution to journal › Article

  2. Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(III) complexes

    Henwood, A. F., Antón-García, D., Morin, M., Rota Martir, D., Cordes, D. B., Casey, C., Slawin, A. M. Z., Lebl, T., Buehl, M. & Zysman-Colman, E., 14 Jul 2019, In : Dalton Transactions. 48, 26

    Research output: Contribution to journal › Article

  3. Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts

    Bidal, Y. D., Urbina-Blanco, C. A., Poater, A., Cordes, D. B., Slawin, A. M. Z., Cavallo, L. & Cazin, C. S. J., 14 Aug 2019, In : Dalton Transactions. 48, 30, p. 11326-11337 12 p.

    Research output: Contribution to journal › Article

  4. Mechanistic insights of anionic ligand exchange and fullerene reduction with magnesium(I) compounds

    Lawrence, S., Cordes, D. B., Slawin, A. M. Z. & Stasch, A., 29 Oct 2019, In : Dalton Transactions. In press

    Research output: Contribution to journal › Article

  5. Perovzalates: a family of perovskite-related oxalates

    Clulow, R., Bradford, A. J., Lee, S. L. & Lightfoot, P., 14 Oct 2019, In : Dalton Transactions. 48, 38, p. 14461-14466 6 p.

    Research output: Contribution to journal › Article

ID: 650458

Top